Lixue Cheng

California Institute of Technology — United States

Materials Science · Physical Sciences

10h-index760citations42works3.92yr avg
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Research Topics

Machine Learning in Materials Science(18), Computational Drug Discovery Methods(13), Quantum Computing Algorithms and Architecture(6), Various Chemistry Research Topics(6), Advanced Chemical Physics Studies(4)

Publications42 total

Diffusion Monte Carlo Study of the Structure and Spectroscopy of H <sub>3</sub> O <sup>–</sup>
The Journal of Physical Chemistry A·2025
Design and experimental verification of a portable multi-degree-of-freedom electric needle holder
Progress in Medical Devices·2025Open Access
An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking
ArXiv.org·2025· 1 citedOpen Access
Stabilizer ground states for simulating quantum many-body physics: theory, algorithms, and applications
Quantum·2025· 5 citedOpen Access
Evaluation of the application value of ultrasound in the diagnosis of community-acquired pneumonia in children: a preliminary study based on large-scale outpatient cases
Frontiers in Pediatrics·2025Open Access
The targeting of YAP by kaempferol regulates bone homeostasis and improves osteoporosis in rats
Naunyn-Schmiedeberg s Archives of Pharmacology·2025· 2 cited
Machine Learning Approaches for Developing Potential Surfaces: Applications to OH <sup>–</sup> (H <sub>2</sub> O) <sub> <i>n</i> </sub> ( <i>n</i> = 1–3) Complexes
The Journal of Physical Chemistry A·2025· 4 cited
Highly accurate real-space electron densities with neural networks
The Journal of Chemical Physics·2025· 7 cited
Machine Learning Approaches for Developing Potential Surfaces: Applications to OH-(H2O)n (n=1-3) Complexes
2024Open Access
Machine Learning Approaches for Developing Potential Surfaces: Applications to OH^-(H$_2$O)$_n$ ($n=1-3$) Complexes
2024Open Access
High-Salt Diet Accelerates Neuron Loss and Anxiety in APP/PS1 Mice Through Serpina3n
International Journal of Molecular Sciences·2024· 1 citedOpen Access
Highly Accurate Real-space Electron Densities with Neural Networks
arXiv (Cornell University)·2024Open Access
Stabilizer ground states for simulating quantum many-body physics: theory, algorithms, and applications
arXiv (Cornell University)·2024Open Access
Quantum approximate optimization via learning-based adaptive optimization
Communications Physics·2024· 29 citedOpen Access
Toward Chemical Accuracy with Shallow Quantum Circuits: A Clifford-Based Hamiltonian Engineering Approach
Journal of Chemical Theory and Computation·2024· 10 cited
Towards chemical accuracy with shallow quantum circuits: A Clifford-based Hamiltonian engineering approach
arXiv (Cornell University)·2023Open Access
TenCirChem: An Efficient Quantum Computational Chemistry Package for the NISQ Era
Journal of Chemical Theory and Computation·2023· 19 cited
Quantum approximate optimization via learning-based adaptive optimization
arXiv (Cornell University)·2023· 8 citedOpen Access
TenCirChem: An Efficient Quantum Computational Chemistry Package for the NISQ Era
arXiv (Cornell University)·2023· 1 citedOpen Access
Molecular-orbital-based machine learning for open-shell and multi-reference systems with kernel addition Gaussian process regression
The Journal of Chemical Physics·2022· 12 citedOpen Access
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Frequent Co-authors

Jiace Sun(16), Thomas F. Miller(13), Anne B. McCoy(5), Vignesh C. Bhethanabotla(5), Matthew Welborn(4), Yuqin Chen(4), Shi‐Xin Zhang(4), Shengyu Zhang(4), Weitang Li(4), Greta M. Jacobson(4), Irina A. Shkel(3), J. Emiliano Deustua(3), P. Bernát Szabó(3), Zeno Schätzle(3), Jonas Köhler(3), Frank Noé(3), Jan Hermann(3), Adam Foster(3), Xian Cheng(2), M. Thomas Record(2)